N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C16H16FN3O3S — CID 25316653

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1ccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1F
InChIInChI=1S/C16H16FN3O3S/c1-11-2-3-12(8-14(11)17)9-18-16(21)13-4-5-15-19-24(22,23)7-6-20(15)10-13/h2-5,8,10H,6-7,9H2,1H3,(H,18,21)
InChIKeyRVHPOMBPPJJVRQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.25
Rot. Bonds3

About N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 25316653) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID25316653
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1ccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1F
InChIInChI=1S/C16H16FN3O3S/c1-11-2-3-12(8-14(11)17)9-18-16(21)13-4-5-15-19-24(22,23)7-6-20(15)10-13/h2-5,8,10H,6-7,9H2,1H3,(H,18,21)
InChIKeyRVHPOMBPPJJVRQ-UHFFFAOYSA-N
XLogP1.25
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 25316653) is N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is Cc1ccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is RVHPOMBPPJJVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-11-2-3-12(8-14(11)17)9-18-16(21)13-4-5-15-19-24(22,23)7-6-20(15)10-13/h2-5,8,10H,6-7,9H2,1H3,(H,18,21).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 25316653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).